EIP

This section contains all information to run an Empirical Interatomic Potential (EIP) calculation. [Edit on GitHub]

Subsections

Keywords

Keyword descriptions

EIP_MODEL: enum = LENOSKY

Aliases: EIP-MODEL

Usage: EIP_MODEL BAZANT

Valid values:

  • BAZANT Bazant potentials

  • EDIP Environment-Dependent Interatomic Potential

  • LENOSKY Lenosky potentials

Selects the empirical interaction potential model [Edit on GitHub]